2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol

C16H19F3N6O2 — CID 23648028

IUPAC2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2OC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C16H19F3N6O2/c17-16(18,19)27-12-6-2-1-5-11(12)21-14-22-13(20-7-10-26)23-15(24-14)25-8-3-4-9-25/h1-2,5-6,26H,3-4,7-10H2,(H2,20,21,22,23,24)
InChIKeyDHTBCMKUVOXAGA-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.52
Rot. Bonds7

About 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648028) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648028
Molecular FormulaC16H19F3N6O2
Molecular Weight384.36 g/mol
Exact Mass384.15
IUPAC Name2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2OC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C16H19F3N6O2/c17-16(18,19)27-12-6-2-1-5-11(12)21-14-22-13(20-7-10-26)23-15(24-14)25-8-3-4-9-25/h1-2,5-6,26H,3-4,7-10H2,(H2,20,21,22,23,24)
InChIKeyDHTBCMKUVOXAGA-UHFFFAOYSA-N
XLogP2.52
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol (CID 23648028) is 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Nc2ccccc2OC(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is DHTBCMKUVOXAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2/c17-16(18,19)27-12-6-2-1-5-11(12)21-14-22-13(20-7-10-26)23-15(24-14)25-8-3-4-9-25/h1-2,5-6,26H,3-4,7-10H2,(H2,20,21,22,23,24).
What are the key properties of 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 384.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).